2-(5-oxidanylidene-6H-benzo[b][1]benzothiepin-2-yl)propanoic acid

Systemtic Name: 2-(5-oxidanylidene-6H-benzo[b][1]benzothiepin-2-yl)propanoic acid Openeye Name: 2-(5-oxo-6H-benzo[b][1]benzothiepin-2-yl)propanoic acid CAS Name: 2-(5-oxo-6H-benzo[b][1]benzothiepin-2-yl)propanoic acid IUPAC Name: 2-(5-oxo-6H-benzo[b][1]benzothiepin-2-yl)propanoic acid Traditional Name: 2-(5-keto-6H-benzo[b][1]benzothiepin-2-yl)propionic acid Formula: C17H14O3S MolecularWeight: 298.35626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)C(=O)CC3=CC=CC=C3S2)C(=O)O

Isomeric SMILES

CC(C1=CC2=C(C=C1)C(=O)CC3=CC=CC=C3S2)C(=O)O

InChI

InChI=1S/C17H14O3S/c1-10(17(19)20)11-6-7-13-14(18)8-12-4-2-3-5-15(12)21-16(13)9-11/h2-7,9-10H,8H2,1H3,(H,19,20)